3-Cyanoindole

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Properties Simple | Detailed

Formula C9H6N2
IUPAC Name indol-1-ium-3-carbonitrile
Molecular Mass 142.157 g·mol−1
Heat of Formation 300.4 ± 16.7 kJ·mol−1
Dipole Moment 6.01 ± 1.08 D
Volume 173.16 Å 3
Surface Area 175.75 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy 2.30 ± eV
Point Group Symmetry Cs
Synonyms
  • 1h-indole-3-carbonitrile
  • 3-indolecarbonitrile
  • indole-3-carbonitrile
CAS Number(s)
  • 5457-28-3
InChIKey CHIFTAQVXHNVRW-UHFFFAOYSA-N
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DOI
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Elements H C N